SCHEMBL1260040

SCHEMBL1260040

COC(=O)c1nc(C)c(-c2ccc(N)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
PKM P14618 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
GRM6 O15303 1/20 0.43
GRM5 P41594 1/20 0.43
XIAP P98170 1/20 0.42
PIK3CD O00329 3/20 0.42
PIK3CA P42336 3/20 0.42
PIK3CB P42338 3/20 0.42
PIK3CG P48736 3/20 0.42
RCE1 Q9Y256 1/20 0.41
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL1260873 0.99 KDM4E (0.46) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL27604844 0.86 PIK3CD (0.46) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL10365699 0.84 CDC7 (0.45) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL10367261 0.77 KDM4E (0.42) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL5029476 0.74 IL2 (0.49) SMN1; SMN2TP53MEN1LMNAGAA
SCHEMBL48393 0.73 PIK3CG (0.74) KDM4EALDH1A1XIAPPIK3CDPIK3CA
SCHEMBL14485340 0.73 GAA (0.58) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL14380356 0.72 PTGS2 (0.51) KDM4ESMN1; SMN2GRM6MEN1LMNA
SCHEMBL5460310 0.72 PTGS2 (0.48) KDM4EALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL22130327 0.72 JAK2 (0.55) KDM4EALDH1A1SMN1; SMN2PIK3CATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2335700-A1 Hepatitis C virus polymerase inhibitors with a heterobicylic structure BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2011-06-22 EP disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 US disclosed
EP-1414797-B9 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2009-04-15 EP disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 US disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 US disclosed
EP-1414797-B1 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2008-01-02 EP disclosed
US-7141574-B2 Series of fused heterocycle compounds having improved inhibitory activity against HCV polymerase; hepatitis treatment BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-11-28 US disclosed
US-20060160798-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-07-20 US disclosed
US-6841566-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM, LTD. (CA) 2005-01-11 US disclosed
EP-1414797-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-05-06 EP disclosed
EP-1411928-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-04-28 EP disclosed
US-20040024190-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-02-05 US disclosed
US-20030236251-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-12-25 US disclosed
WO-2003010141-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-02-06 WO disclosed
WO-2003007945-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-01-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 KDM4E 3438/4885ALDH1A1 3616/4885PKM 4760/4885
US-20030236251-A1 Viral polymerase inhibitors POLR2H, CTDSP1, POLR2E KDM4E 2771/4885ALDH1A1 3269/4885PKM 4617/4885
US-20060160798-A1 Viral polymerase inhibitors NR4A1, NR1I3, RER1 KDM4E 2962/4885ALDH1A1 3899/4885PKM 4068/4885
US-20040024190-A1 Viral polymerase inhibitors RCOR1, NR4A1, RER1 KDM4E 2494/4885ALDH1A1 2367/4885PKM 4822/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.